ID: 52102
SMILES:Oc1c(CCCCC)cc(O)c2c1OC1C(C)(O2)CCC(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.331
InChIKey:GASCSZLYCAGIJG-UHFFFAOYSA-N
ID: 52103
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 52104
SMILES:C1(=O)OC(c2c(O)cc(CCCCC)c(O)c2)CC1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.956
InChIKey:VYECOHOIIXSYQD-UHFFFAOYSA-N
ID: 52105
SMILES:CCCCCCc1cc2c(c(O)c1)C1CC(C)(O2)CC=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.088
InChIKey:USIDAIOBTYSBNI-UHFFFAOYSA-N
ID: 52106
SMILES:C(CC)CCCc1cc(O)c(CC2C(=C)CCC3C(=C)C(=O)OC32)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.229
InChIKey:XTFVBAXEDLDNBK-UHFFFAOYSA-N
ID: 52107
SMILES:C(C(C)=CCc1c(OC)cc(CCCCCC)cc1O)OC(C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -14.674
InChIKey:AGLIPQHWHNOVCP-UHFFFAOYSA-N
ID: 52108
SMILES:C1=C(C)CCC2C1C(C)(C)Oc1cc(C)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.796
InChIKey:XLEJINBZSOFAKC-UHFFFAOYSA-N
ID: 52109
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1C(C)(O)CCC(C(C)(O)C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -17.161
InChIKey:TVHYPNIAZUGOHB-UHFFFAOYSA-N
ID: 52110
SMILES:C1C(C)=CCC(C(CCC=C(C)C)C)C1c1c(O)cc(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.929
InChIKey:UUWSWZQPSZMTMY-UHFFFAOYSA-N
ID: 52111
SMILES:C1(C(=C)C)C(c2cc(CCN(C)C)ccc2OC)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 52112
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C2=C(C(OC)C(C=C)C(C(O)=O)C2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.535
CB1 binding score: -16.885
InChIKey:ZQEYDNSCTZOKST-UHFFFAOYSA-N
ID: 52113
SMILES:c1(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.225
InChIKey:BEXSRXTVRHPHGL-UHFFFAOYSA-N
ID: 52114
SMILES:c1(C)c2c(c(O)c(CC=C(CCC=C(CO)C)C)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -14.332
InChIKey:HBVMKLMVZCGNNG-UHFFFAOYSA-N
ID: 52115
SMILES:CC1(C)C2C1C=C(C)CC2c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.824
InChIKey:QNDCKGVGABUOKJ-UHFFFAOYSA-N
ID: 52116
SMILES:CCCCc1cc(O)cc2c1C1=C(C(C)(C)O2)CCC(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.283
InChIKey:LAVONPNLFVQORN-UHFFFAOYSA-N
ID: 52117
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.566
CB1 binding score: -15.909
InChIKey:SYCLCCICVKOZCC-UHFFFAOYSA-N
ID: 52118
SMILES:CC1(C)Oc2cc(CCC)cc(O)c2C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 52119
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)c(C=O)c2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.327
InChIKey:GRWFZKLRXDLEIB-UHFFFAOYSA-N
ID: 52120
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 52121
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C(O)=O)CCC2C(C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.451
InChIKey:WXADNQNIDLZZRX-UHFFFAOYSA-N
ID: 52122
SMILES:c1(O)cc(CC=C(C)CCC=C(C)C)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.968
InChIKey:RNKSQHRRYNTMIO-UHFFFAOYSA-N